2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide

C14H17ClN2O4 — CID 78977054

IUPAC2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H17ClN2O4/c15-12-8-11(6-7-13(12)17(19)20)21-9-14(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
InChIKeyNRCGOVBFGACJBS-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.08
Rot. Bonds5

About 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide

2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide (PubChem CID 78977054) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
PubChem CID78977054
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H17ClN2O4/c15-12-8-11(6-7-13(12)17(19)20)21-9-14(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
InChIKeyNRCGOVBFGACJBS-UHFFFAOYSA-N
XLogP3.08
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-nitrophenoxy)-N-(oxan-4-yl)acetamide
CID 78924749
2-(3-chloro-4-nitrophenoxy)-1-cyclohexylethanone
CID 115595147
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 106500687
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 158031609
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 78977095
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide (CID 78977054) is 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide is O=C(COc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCCCC1.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide?
The InChIKey is NRCGOVBFGACJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-12-8-11(6-7-13(12)17(19)20)21-9-14(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18).
What are the key properties of 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide?
2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide has a molecular weight of 312.75 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 78977054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).